N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide

C22H28N4O3 — CID 28983026

IUPACN'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide
SMILESO=C(NCCCc1ccccc1)C(=O)NC[C@@H](c1cccnc1)N1CCOCC1
InChIInChI=1S/C22H28N4O3/c27-21(24-11-4-8-18-6-2-1-3-7-18)22(28)25-17-20(19-9-5-10-23-16-19)26-12-14-29-15-13-26/h1-3,5-7,9-10,16,20H,4,8,11-15,17H2,(H,24,27)(H,25,28)/t20-/m0/s1
InChIKeyDMEYKBCXORSTNI-FQEVSTJZSA-N
MW396.49 g/mol
LogP1.32
Rot. Bonds8

About N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide

N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide (PubChem CID 28983026) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide
PubChem CID28983026
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide
SMILESO=C(NCCCc1ccccc1)C(=O)NC[C@@H](c1cccnc1)N1CCOCC1
InChIInChI=1S/C22H28N4O3/c27-21(24-11-4-8-18-6-2-1-3-7-18)22(28)25-17-20(19-9-5-10-23-16-19)26-12-14-29-15-13-26/h1-3,5-7,9-10,16,20H,4,8,11-15,17H2,(H,24,27)(H,25,28)/t20-/m0/s1
InChIKeyDMEYKBCXORSTNI-FQEVSTJZSA-N
XLogP1.32
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
CID 22517260
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide
CID 22517332
N'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(2-phenylethyl)oxamide
CID 51631275
N-(2-morpholin-4-ylethyl)-N'-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 27564085
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-(3-phenylpropyl)oxamide
CID 27558089
1-benzyl-3-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]thiourea
CID 92661893
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide
CID 112506427
4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide
CID 110304070
N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
CID 30835257
N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 92680787
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide?
The IUPAC name of N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide (CID 28983026) is N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide.
What is the SMILES notation for N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide?
The canonical SMILES for N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide is O=C(NCCCc1ccccc1)C(=O)NC[C@@H](c1cccnc1)N1CCOCC1.
What is the InChIKey of N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide?
The InChIKey is DMEYKBCXORSTNI-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H28N4O3/c27-21(24-11-4-8-18-6-2-1-3-7-18)22(28)25-17-20(19-9-5-10-23-16-19)26-12-14-29-15-13-26/h1-3,5-7,9-10,16,20H,4,8,11-15,17H2,(H,24,27)(H,25,28)/t20-/m0/s1.
What are the key properties of N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide?
N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide has a molecular weight of 396.49 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide is sourced from PubChem (CID 28983026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).